(2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide

C14H17N3O — CID 114186160

IUPAC(2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide
SMILESCn1cccc1CNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-17-9-5-8-12(17)10-16-14(18)13(15)11-6-3-2-4-7-11/h2-9,13H,10,15H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyAYCFVGLLZRRMSV-ZDUSSCGKSA-N
MW243.31 g/mol
LogP1.34
Rot. Bonds4

About (2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide

(2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide (PubChem CID 114186160) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide
PubChem CID114186160
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide
SMILESCn1cccc1CNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-17-9-5-8-12(17)10-16-14(18)13(15)11-6-3-2-4-7-11/h2-9,13H,10,15H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyAYCFVGLLZRRMSV-ZDUSSCGKSA-N
XLogP1.34
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 114186154
2-methyl-3-[(1-methylpyrrol-2-yl)methylamino]-3-oxopropanoic acid
CID 106423129
2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide
CID 106416709
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
(2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
CID 114125272
(2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide
CID 104898150
2-amino-N-(cyanomethyl)-2-phenylacetamide
CID 61253687
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 112669565
(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-2-phenylacetamide
CID 96927089
1-methoxy-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 130718702
(2R)-2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-phenylacetamide
CID 62058382

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide (CID 114186160) is (2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide is Cn1cccc1CNC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide?
The InChIKey is AYCFVGLLZRRMSV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-9-5-8-12(17)10-16-14(18)13(15)11-6-3-2-4-7-11/h2-9,13H,10,15H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide?
(2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide has a molecular weight of 243.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 114186160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).